Vitas-M small molecule compound
2-{(E)-[1-(3-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenyl benzenesulfonate
Catalog ID
STL494963
SMILES Clc1cccc(c1)N1C(=O)NC(=O)/C(=C\c2ccccc2OS(=O)(=O)c2ccccc2)/C1=O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H15ClN2O6S MW 482.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15ClN2O6S/c24-16-8-6-9-17(14-16)26-22(28)19(21(27)25-23(26)29)13-15-7-4-5-12-20(15)32-33(30,31)18-10-2-1-3-11-18/h1-14H,(H,25,27,29)/b19-13+InChIKey
CMTUIWHISZAAFQ-CPNJWEJPSA-NSynonyms
(2((E)(1(3CHLOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENYL)BENZENESULFONATE
2((E)(1(3chlorophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenylbenzenesulfonate
C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=C3C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)Cl
Clc1cccc(c1)N1C(=O)NC(=O)C(=Cc2ccccc2OS(=O)(=O)c2ccccc2)C1=O
InChI=1SC23H15ClN2O6Sc241686917(1416)2622(28)19(21(27)2523(26)29)13157451220(15)3233(3031)18102131118h114H(H252729)b1913+
MFCD03993659
ZINC000002826770
ZINC02826770
ZINC2826770
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